2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate

C28H25NO6 — CID 67727277

IUPAC2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate
SMILESCOC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H14O4.C13H11NO2/c1-19-15(18)14(10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11;15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h2-9,14,16-17H,1H3;1-9,15H,(H,14,16)
InChIKeyIPESZCFCJFYWDV-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.05
Rot. Bonds5

About 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate

2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate (PubChem CID 67727277) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate
PubChem CID67727277
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate
SMILESCOC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H14O4.C13H11NO2/c1-19-15(18)14(10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11;15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h2-9,14,16-17H,1H3;1-9,15H,(H,14,16)
InChIKeyIPESZCFCJFYWDV-UHFFFAOYSA-N
XLogP5.05
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
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2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
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2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene
CID 19390439
2-hydroxy-N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 42578583
dodecanamide;2-hydroxy-N-phenylbenzamide
CID 174887161
methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
CID 43723711
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate?
The IUPAC name of 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate (CID 67727277) is 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate.
What is the SMILES notation for 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate?
The canonical SMILES for 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate is COC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Nc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate?
The InChIKey is IPESZCFCJFYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4.C13H11NO2/c1-19-15(18)14(10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11;15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h2-9,14,16-17H,1H3;1-9,15H,(H,14,16).
What are the key properties of 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate?
2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate has a molecular weight of 471.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate is sourced from PubChem (CID 67727277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).